SCHEMBL7085569

SCHEMBL7085569

OCCOCCOCCOc1cc[c]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PTK2B Q14289 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NCF1 P14598 5/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
APP P05067 1/20 0.34
RECQL P46063 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21630337 0.90 KMT2A (0.45) IDO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL248878 0.86 CNR2 (0.46) IDO1ALDH1A1HTR1DHTR1BCNR2
SCHEMBL9164753 0.83 NCF1 (0.46) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL15206293 0.80 KDM1A (0.36) IDO1HTR1DHTR1B
SCHEMBL29115293 0.80 IDO1 (0.47) IDO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL668349 0.78 CNR1 (0.41) KMT2AMEN1HTR1DHTR1BCNR2
SCHEMBL5574264 0.77 KMT2A (0.55) IDO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL668261 0.76 CYP2C9 (0.46) KMT2AMEN1HTR1DHTR1BCNR2
SCHEMBL14537076 0.75 IDO1 (0.58) IDO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL250334 0.75 CNR1 (0.44) KMT2AMEN1LMNAHTR1DHTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030017519-A1 Electrochemical enzyme assay BROWN MARY E (US) 2003-01-23 US claimed
US-6110696-A KIT FOR THE DETECTION OF A COMPOUND IN A FLUID ROCHE DIAGNOSTICS CORPORATION (US) 2000-08-29 US claimed